4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide

C17H21N3O — CID 62986653

IUPAC4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)NCCC(C)c2ccccc2)c1
InChIInChI=1S/C17H21N3O/c1-13(14-6-4-3-5-7-14)8-10-20-17(21)16-12-15(18-2)9-11-19-16/h3-7,9,11-13H,8,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPQEJVPIHXKXHGO-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.05
Rot. Bonds6

About 4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide

4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide (PubChem CID 62986653) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide
PubChem CID62986653
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)NCCC(C)c2ccccc2)c1
InChIInChI=1S/C17H21N3O/c1-13(14-6-4-3-5-7-14)8-10-20-17(21)16-12-15(18-2)9-11-19-16/h3-7,9,11-13H,8,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPQEJVPIHXKXHGO-UHFFFAOYSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62987007
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 62181098
4-(methylamino)-N-(3-phenylbutyl)benzamide
CID 62987359
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986832
N-(3-phenylbutyl)benzamide
CID 62403316
4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide
CID 62178459
3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 104742250
N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109217303
6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide
CID 106551267
N-[2-(dimethylsulfamoyl)ethyl]-4-(methylamino)pyridine-2-carboxamide
CID 106342692
N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62177424
4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217368

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide (CID 62986653) is 4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide is CNc1ccnc(C(=O)NCCC(C)c2ccccc2)c1.
What is the InChIKey of 4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide?
The InChIKey is PQEJVPIHXKXHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(14-6-4-3-5-7-14)8-10-20-17(21)16-12-15(18-2)9-11-19-16/h3-7,9,11-13H,8,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide?
4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 62986653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).